⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9900519 | 0.92 | — | — | |
| SCHEMBL20217392 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL19265068 | 0.69 | — | — | |
| SCHEMBL6210959 | 0.68 | — | — | |
| SCHEMBL12470688 | 0.68 | — | — | |
| SCHEMBL161630 | 0.62 | — | — | |
| SCHEMBL6210837 | 0.59 | — | — | |
| SCHEMBL20321558 | 0.57 | — | — | |
| SCHEMBL10526403 | 0.55 | OPRM1 (0.39) | — | |
| SCHEMBL19112381 | 0.55 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2672967-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2013-12-18 | — | — | EP | claimed |
| WO-2012109075-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2012-08-16 | — | — | WO | claimed |
| EP-2672967-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109075-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2012-08-16 | — | — | WO | disclosed |